#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1rax n GLN 24 N 0.00 -1.13 -1.89 -1.09 3.00 -1.26 -4.80 117.38 110.22 1rax n GLN 24 Ca 0.00 -0.30 -0.43 0.00 -0.01 0.00 0.00 57.00 56.26 1rax n GLN 24 Cb 0.00 -1.80 -0.03 0.00 0.00 0.00 0.00 30.24 28.42 1rax n GLN 24 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.06 177.14 1rax s VAL 25 N -2.31 3.36 0.00 5.09 1.01 -1.26 -4.57 120.40 121.72 1rax s VAL 25 Ca 0.57 0.40 0.00 0.00 0.00 0.00 0.00 61.98 62.95 1rax s VAL 25 Cb -0.16 -3.40 0.00 0.00 0.00 0.00 0.00 36.38 32.82 1rax s VAL 25 CO 0.66 -0.19 0.00 0.61 0.00 0.00 0.00 175.10 176.18 1rax n GLY 26 N 5.08 1.24 2.96 4.51 0.00 -1.26 -4.01 105.19 113.70 1rax n GLY 26 Ca 0.23 0.44 -0.07 0.00 0.00 0.00 0.00 46.02 46.61 1rax n GLY 26 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1rax s ASP 27 N -4.00 0.01 0.23 1.61 1.01 -1.26 -5.09 116.67 109.17 1rax s ASP 27 Ca 0.00 -0.48 0.09 0.00 0.71 0.00 0.00 52.55 52.86 1rax s ASP 27 Cb 0.00 1.26 -0.05 0.00 1.01 0.00 0.00 42.92 45.14 1rax s ASP 27 CO 0.00 -0.32 -0.15 0.00 0.21 0.00 0.00 175.17 174.91 1rax s ILE 30 N -2.89 5.36 0.12 0.00 1.01 -1.26 -0.33 121.20 123.22 1rax s ILE 30 Ca -0.03 0.18 0.09 0.00 0.00 0.00 0.00 60.65 60.90 1rax s ILE 30 Cb 0.00 -3.50 -0.04 0.00 0.01 0.00 0.00 42.46 38.94 1rax s ILE 30 CO -0.06 0.35 -0.17 0.27 0.00 0.00 0.00 174.94 175.34 1rax s ILE 31 N 1.00 2.88 -0.17 2.92 -4.36 -0.43 -4.92 121.20 118.11 1rax s ILE 31 Ca 0.08 -1.50 -0.05 0.00 -0.26 0.00 0.00 60.65 58.92 1rax s ILE 31 Cb -0.13 -2.33 -0.03 0.00 1.25 0.00 0.00 42.46 41.22 1rax s ILE 31 CO 0.04 0.09 -0.01 -0.60 0.24 0.00 0.00 174.94 174.70 1rax s ARG 32 N -2.18 3.70 -0.08 0.37 3.52 -0.41 -1.87 118.95 122.00 1rax s ARG 32 Ca 0.18 -0.50 -0.01 0.00 -0.13 0.00 0.00 55.73 55.28 1rax s ARG 32 Cb -0.10 -3.01 0.03 0.00 -1.56 0.00 0.00 34.95 30.30 1rax s ARG 32 CO 0.11 0.17 -0.02 0.08 -0.81 0.00 0.00 175.30 174.83 1rax s VAL 33 N 0.57 0.56 0.35 7.11 1.01 0.88 0.62 120.40 131.50 1rax s VAL 33 Ca -0.01 0.00 0.07 0.00 0.00 0.00 0.00 61.98 62.04 1rax s VAL 33 Cb -0.14 -0.67 -0.00 0.00 0.00 0.00 0.00 36.38 35.56 1rax s VAL 33 CO 0.02 0.29 0.50 -0.44 0.00 0.00 0.00 175.10 175.47 1rax s SER 34 N 1.87 5.90 0.04 3.32 0.01 -0.54 -1.49 113.70 122.81 1rax s SER 34 Ca 0.05 -0.22 0.03 0.00 1.31 0.00 0.00 55.95 57.11 1rax s SER 34 Cb -0.12 -1.12 -0.04 0.00 0.21 0.00 0.00 66.02 64.95 1rax s SER 34 CO -0.06 -0.51 0.01 -0.76 0.41 0.00 0.00 173.24 172.33 1rax s LEU 35 N -4.22 3.52 -0.81 2.44 1.43 -1.26 -0.16 118.68 119.61 1rax s LEU 35 Ca 0.47 -0.07 0.00 0.00 -1.03 0.00 0.00 54.13 53.50 1rax s LEU 35 Cb -0.10 -2.12 0.35 0.00 0.03 0.00 0.00 46.19 44.36 1rax s LEU 35 CO 0.32 0.23 1.72 -0.67 0.23 0.00 0.00 176.35 178.18 1rax n ASP 36 N 1.02 6.75 -0.01 2.29 -0.08 -0.21 -4.65 116.55 121.67 1rax n ASP 36 Ca -0.13 -3.76 0.14 0.00 -1.51 0.00 0.00 54.79 49.53 1rax n ASP 36 Cb 0.52 -0.96 0.68 0.00 2.34 0.00 0.00 41.12 43.70 1rax n ASP 36 CO 0.00 0.00 0.00 1.33 0.12 0.00 0.00 177.20 178.65 1rax n VAL 37 N -0.36 0.00 0.00 5.18 0.24 -1.26 -4.76 118.33 117.36 1rax n VAL 37 Ca 0.47 -0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.77 1rax n VAL 37 Cb 0.32 -0.44 0.00 0.00 -1.47 0.00 0.00 33.84 32.25 1rax n VAL 37 CO 0.00 0.00 0.00 -0.67 -2.14 0.00 0.00 176.83 174.02 1rax n ASP 38 N -1.35 0.00 -4.15 -1.34 2.03 -1.26 -4.96 116.55 105.52 1rax n ASP 38 Ca 0.11 0.00 -0.26 0.00 0.52 0.00 0.00 54.79 55.16 1rax n ASP 38 Cb 0.28 -0.09 -0.16 0.00 -0.72 0.00 0.00 41.12 40.44 1rax n ASP 38 CO 0.00 0.00 0.00 0.21 -1.92 0.00 0.00 177.20 175.49 1rax s ASN 39 N -2.44 2.16 0.58 1.67 3.84 -1.26 -5.08 114.94 114.41 1rax s ASN 39 Ca 0.00 -0.35 0.00 0.00 0.21 0.00 0.00 52.86 52.72 1rax s ASN 39 Cb 0.00 -0.47 0.00 0.00 -0.55 0.00 0.00 41.25 40.23 1rax s ASN 39 CO 0.00 0.18 0.00 0.61 -2.79 0.00 0.00 177.10 175.10 1rax n GLY 40 N 2.95 0.94 0.00 1.21 0.00 -1.26 -4.94 105.19 104.08 1rax n GLY 40 Ca -0.17 -0.63 0.00 0.00 0.00 0.00 0.00 46.02 45.22 1rax n GLY 40 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1rax n ASN 41 N -3.42 0.00 -3.42 1.61 4.05 -1.26 -4.95 115.26 107.86 1rax n ASN 41 Ca 0.00 0.00 -0.19 0.00 0.45 0.00 0.00 54.58 54.84 1rax n ASN 41 Cb 0.00 0.00 -0.10 0.00 1.23 0.00 0.00 39.78 40.91 1rax n ASN 41 CO 0.00 0.00 0.00 -0.32 -3.05 0.00 0.00 177.26 173.89 1rax s MET 42 N -1.48 0.33 -0.25 1.20 1.75 -1.26 -5.08 119.30 114.51 1rax s MET 42 Ca 0.00 -0.28 -0.29 0.00 -1.25 0.00 0.00 55.69 53.87 1rax s MET 42 Cb 0.00 -0.76 -0.03 0.00 2.84 0.00 0.00 34.83 36.88 1rax s MET 42 CO 0.00 -1.04 1.88 0.71 -0.65 0.00 0.00 175.02 175.91 1rax s TYR 43 N 2.22 1.67 0.17 4.11 2.02 -1.26 -4.51 117.35 121.77 1rax s TYR 43 Ca 0.10 0.50 0.06 0.00 -0.37 0.00 0.00 57.07 57.36 1rax s TYR 43 Cb -0.15 -4.06 -0.04 0.00 -0.40 0.00 0.00 41.96 37.32 1rax s TYR 43 CO -0.31 -3.44 0.07 0.21 -1.57 0.00 0.00 175.55 170.52 1rax s LYS 44 N 5.52 2.67 0.07 -0.62 2.36 -0.56 -4.94 119.74 124.24 1rax s LYS 44 Ca 0.84 -0.98 0.06 0.00 -2.55 0.00 0.00 55.97 53.34 1rax s LYS 44 Cb -0.27 -2.51 -0.03 0.00 -1.05 0.00 0.00 37.83 33.97 1rax s LYS 44 CO 0.34 0.47 -0.16 0.45 1.55 0.00 0.00 175.35 177.99 1rax s SER 45 N -3.02 1.95 0.15 1.43 0.15 -1.26 -0.08 113.70 113.02 1rax s SER 45 Ca 0.29 -0.59 -0.11 0.00 0.70 0.00 0.00 55.95 56.25 1rax s SER 45 Cb -0.10 -0.10 0.00 0.00 -1.71 0.00 0.00 66.02 64.12 1rax s SER 45 CO 0.21 0.00 0.31 0.27 1.20 0.00 0.00 173.24 175.23 1rax s ILE 46 N -1.11 0.07 -0.21 6.45 -4.36 -0.78 -5.01 121.20 116.25 1rax s ILE 46 Ca 0.02 -1.20 -0.08 0.00 -0.26 0.00 0.00 60.65 59.13 1rax s ILE 46 Cb -0.09 -1.66 -0.04 0.00 1.25 0.00 0.00 42.46 41.91 1rax s ILE 46 CO 0.02 -0.33 0.08 -0.22 0.24 0.00 0.00 174.94 174.73 1rax s LEU 47 N -2.92 3.73 -0.05 0.37 2.96 -1.26 -1.31 118.68 120.20 1rax s LEU 47 Ca 0.13 -0.02 -0.04 0.00 -0.22 0.00 0.00 54.13 53.98 1rax s LEU 47 Cb 0.03 -1.97 -0.04 0.00 0.50 0.00 0.00 46.19 44.71 1rax s LEU 47 CO -0.03 0.08 0.16 -0.69 -1.32 0.00 0.00 176.35 174.55 1rax s VAL 48 N 0.92 5.44 0.33 1.68 1.01 0.55 -4.93 120.40 125.40 1rax s VAL 48 Ca 0.04 -0.03 0.07 0.00 0.00 0.00 0.00 61.98 62.06 1rax s VAL 48 Cb -0.14 -3.48 -0.01 0.00 0.00 0.00 0.00 36.38 32.75 1rax s VAL 48 CO 0.03 0.43 0.42 0.42 0.00 0.00 0.00 175.10 176.40 1rax s THR 49 N -1.21 3.98 -0.40 3.92 -4.23 -1.26 -0.89 115.64 115.54 1rax s THR 49 Ca 0.23 -1.10 -0.05 0.00 -1.18 0.00 0.00 61.69 59.58 1rax s THR 49 Cb -0.12 -3.37 -0.16 0.00 1.34 0.00 0.00 72.50 70.19 1rax s THR 49 CO 0.13 -0.17 2.73 -1.54 -0.54 0.00 0.00 174.62 175.23 1rax n SER 50 N -1.56 4.80 0.00 3.99 3.41 -0.60 -3.22 113.62 120.45 1rax n SER 50 Ca -0.01 -2.30 0.00 0.00 -0.26 0.00 0.00 58.87 56.30 1rax n SER 50 Cb 0.58 -1.14 0.00 0.00 -0.26 0.00 0.00 64.21 63.39 1rax n SER 50 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1rax n GLN 51 N 3.05 0.00 -1.53 4.33 1.13 -1.26 -4.93 117.38 118.17 1rax n GLN 51 Ca 0.41 0.00 -0.62 0.00 -1.94 0.00 0.00 57.00 54.85 1rax n GLN 51 Cb 0.52 0.00 -0.10 0.00 0.11 0.00 0.00 30.24 30.77 1rax n GLN 51 CO 0.00 0.00 0.00 -0.40 -1.44 0.00 0.00 177.06 175.22 1rax n ASP 52 N 0.00 1.30 -4.76 1.08 5.75 -1.20 -4.64 116.55 114.08 1rax n ASP 52 Ca 0.00 0.91 -0.30 0.00 -0.01 0.00 0.00 54.79 55.39 1rax n ASP 52 Cb 0.00 -0.96 0.12 0.00 -1.03 0.00 0.00 41.12 39.25 1rax n ASP 52 CO 0.00 0.00 0.00 -0.54 -0.11 0.00 0.00 177.20 176.55 1rax s LYS 53 N 4.51 1.56 0.21 0.11 1.02 -1.26 -2.73 119.74 123.15 1rax s LYS 53 Ca 1.10 0.69 -0.17 0.00 0.02 0.00 0.00 55.97 57.61 1rax s LYS 53 Cb -1.38 -1.85 0.19 0.00 -0.52 0.00 0.00 37.83 34.28 1rax s LYS 53 CO 0.71 -2.00 1.59 0.00 -0.92 0.00 0.00 175.35 174.72 1rax h ALA 54 N -1.37 0.16 0.00 5.17 0.00 -1.70 -0.08 119.26 121.43 1rax h ALA 54 Ca -0.49 0.22 0.00 0.00 0.00 0.00 0.00 54.91 54.64 1rax h ALA 54 Cb 1.28 0.73 0.00 0.00 0.00 0.00 0.00 17.79 19.80 1rax h ALA 54 CO 0.57 -0.58 0.00 -0.35 0.00 0.00 0.00 179.25 178.89 1rax n PRO 55 N -5.46 0.05 -0.08 0.00 -0.04 -1.26 -2.06 135.00 126.15 1rax n PRO 55 Ca 0.07 0.28 -0.13 0.00 -0.04 0.00 0.00 63.50 63.68 1rax n PRO 55 Cb 0.37 -1.50 -0.08 0.00 -0.04 0.00 0.00 33.50 32.24 1rax n PRO 55 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1rax h ALA 56 N 2.39 0.10 -0.63 0.55 0.00 -1.37 -2.82 119.26 117.48 1rax h ALA 56 Ca 0.00 -0.70 0.18 0.00 0.00 0.00 0.00 54.91 54.39 1rax h ALA 56 Cb 0.15 0.38 -0.03 0.00 0.00 0.00 0.00 17.79 18.30 1rax h ALA 56 CO 0.00 0.37 0.45 0.28 0.00 0.00 0.00 179.25 180.35 1rax h VAL 57 N -1.00 0.68 0.03 0.00 2.07 -1.19 0.25 116.25 117.08 1rax h VAL 57 Ca -0.13 0.00 -0.21 0.00 0.82 0.00 0.00 66.70 67.17 1rax h VAL 57 Cb 0.88 0.68 -0.01 0.00 -1.52 0.00 0.00 31.29 31.32 1rax h VAL 57 CO -0.08 0.00 -0.97 0.40 0.02 0.00 0.00 177.57 176.94 1rax h ILE 58 N 0.00 1.56 -0.72 4.57 2.04 -1.52 -0.90 117.51 122.55 1rax h ILE 58 Ca 0.30 -2.93 -0.06 0.00 1.00 0.00 0.00 64.86 63.17 1rax h ILE 58 Cb 1.20 2.66 -0.03 0.00 -0.74 0.00 0.00 36.82 39.91 1rax h ILE 58 CO -0.00 0.85 0.20 -0.09 0.00 0.00 0.00 178.15 179.10 1rax h ARG 59 N 0.06 1.13 0.20 2.37 2.43 -0.69 -0.12 114.38 119.77 1rax h ARG 59 Ca -0.05 -0.26 -0.01 0.00 -0.81 0.00 0.00 59.98 58.85 1rax h ARG 59 Cb 1.65 -0.16 0.00 0.00 -0.42 0.00 0.00 29.97 31.05 1rax h ARG 59 CO 0.14 0.98 -0.10 -0.22 -1.51 0.00 0.00 179.97 179.27 1rax h LYS 60 N 1.08 -0.26 -0.89 0.20 1.63 -1.40 -2.20 116.57 114.73 1rax h LYS 60 Ca 0.23 0.02 0.15 0.00 -0.85 0.00 0.00 60.65 60.20 1rax h LYS 60 Cb 0.34 0.06 -0.07 0.00 -0.60 0.00 0.00 32.23 31.96 1rax h LYS 60 CO -0.00 0.13 0.57 0.00 -3.45 0.00 0.00 179.45 176.70 1rax h ALA 61 N -0.17 1.89 0.08 5.00 0.00 -1.13 -1.17 119.26 123.76 1rax h ALA 61 Ca -0.03 0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.90 1rax h ALA 61 Cb 0.51 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.20 1rax h ALA 61 CO 0.05 -0.14 -0.04 0.52 0.00 0.00 0.00 179.25 179.64 1rax h MET 62 N 0.64 -0.11 -0.97 0.00 2.86 -1.05 -1.96 114.93 114.35 1rax h MET 62 Ca 0.45 0.01 0.24 0.00 -2.06 0.00 0.00 59.70 58.34 1rax h MET 62 Cb 0.79 0.02 -0.07 0.00 0.06 0.00 0.00 31.60 32.41 1rax h MET 62 CO -0.21 0.41 0.65 0.22 1.06 0.00 0.00 176.91 179.04 1rax h ASP 63 N -0.91 0.32 0.12 1.22 1.82 -1.18 0.14 116.42 117.95 1rax h ASP 63 Ca -0.01 0.05 -0.23 0.00 -0.39 0.00 0.00 57.03 56.45 1rax h ASP 63 Cb 0.56 -0.01 0.01 0.00 0.68 0.00 0.00 39.33 40.57 1rax h ASP 63 CO 0.02 0.10 -0.88 0.11 -1.61 0.00 0.00 179.24 176.97 1rax h LYS 64 N 0.31 0.58 -0.02 0.28 1.79 -1.25 -3.25 116.57 115.01 1rax h LYS 64 Ca 0.51 -0.55 0.00 0.00 -2.18 0.00 0.00 60.65 58.43 1rax h LYS 64 Cb 1.45 0.14 0.00 0.00 -1.58 0.00 0.00 32.23 32.24 1rax h LYS 64 CO -0.17 1.17 0.00 0.72 -1.08 0.00 0.00 179.45 180.09 1rax n HIS 65 N -3.84 0.01 -2.65 -1.35 8.25 0.12 -4.94 115.22 110.83 1rax n HIS 65 Ca -0.07 -0.01 -0.16 0.00 -0.26 0.00 0.00 57.72 57.22 1rax n HIS 65 Cb 0.80 0.00 0.02 0.00 1.12 0.00 0.00 29.99 31.93 1rax n HIS 65 CO 0.00 0.00 0.00 0.09 0.64 0.00 0.00 176.34 177.07 1rax n ASN 66 N 0.16 -4.82 -2.13 0.41 4.13 0.26 -4.90 115.26 108.37 1rax n ASN 66 Ca 0.19 -0.15 -0.28 0.00 1.68 0.00 0.00 54.58 56.02 1rax n ASN 66 Cb 0.35 -3.77 0.09 0.00 -1.54 0.00 0.00 39.78 34.92 1rax n ASN 66 CO 0.00 0.00 0.00 0.18 0.28 0.00 0.00 177.26 177.72 1rax n LEU 67 N -2.76 6.64 0.21 3.41 4.77 -1.03 -4.68 117.00 123.57 1rax n LEU 67 Ca -0.12 -4.24 0.14 0.00 -0.03 0.00 0.00 56.01 51.77 1rax n LEU 67 Cb 0.60 -0.79 0.76 0.00 -2.33 0.00 0.00 43.42 41.66 1rax n LEU 67 CO 0.30 1.52 0.93 -0.33 -1.33 0.00 0.00 177.39 178.48 1rax h GLU 68 N 1.79 0.00 -1.75 3.23 4.39 -1.91 -2.91 114.58 117.42 1rax h GLU 68 Ca 0.52 0.00 0.54 0.00 0.34 0.00 0.00 59.36 60.76 1rax h GLU 68 Cb 1.34 0.00 -0.10 0.00 -0.10 0.00 0.00 28.75 29.89 1rax h GLU 68 CO 1.23 0.00 1.22 1.05 -1.16 0.00 0.00 179.01 181.36 1rax h GLU 69 N 0.00 0.00 -4.87 2.33 4.11 -1.99 -3.41 114.58 110.76 1rax h GLU 69 Ca 0.00 -0.00 -0.38 0.00 0.07 0.00 0.00 59.36 59.05 1rax h GLU 69 Cb 0.01 -0.00 -0.14 0.00 0.50 0.00 0.00 28.75 29.12 1rax h GLU 69 CO 0.00 0.00 -0.58 -1.21 0.07 0.00 0.00 179.01 177.29 1rax s GLU 70 N -5.01 1.51 0.74 1.06 0.41 -1.10 -5.18 118.70 111.14 1rax s GLU 70 Ca -0.06 -1.85 -0.04 0.00 -0.41 0.00 0.00 54.97 52.61 1rax s GLU 70 Cb 0.28 -0.14 0.12 0.00 -1.78 0.00 0.00 34.13 32.61 1rax s GLU 70 CO 0.87 -0.39 1.03 -1.21 -0.49 0.00 0.00 175.26 175.07 1rax s GLU 71 N -3.91 1.69 0.13 1.61 0.41 -1.26 -5.00 118.70 112.36 1rax s GLU 71 Ca 0.36 -0.80 -0.11 0.00 -0.41 0.00 0.00 54.97 54.02 1rax s GLU 71 Cb 0.06 -2.24 -0.09 0.00 -1.78 0.00 0.00 34.13 30.09 1rax s GLU 71 CO 0.16 -1.49 1.39 -1.00 -0.49 0.00 0.00 175.26 173.82 1rax h PRO 72 N -0.67 0.82 0.00 0.39 0.13 -1.90 -3.01 132.00 127.77 1rax h PRO 72 Ca -0.40 -0.56 0.00 0.00 -0.87 0.00 0.00 66.00 64.17 1rax h PRO 72 Cb 1.27 0.08 0.00 0.00 0.13 0.00 0.00 31.00 32.49 1rax h PRO 72 CO 0.45 1.19 0.05 1.05 -0.23 0.00 0.00 178.00 180.50 1rax h GLU 73 N 0.61 0.00 -0.95 0.86 4.11 -1.95 -2.27 114.58 114.99 1rax h GLU 73 Ca -0.01 0.00 -0.34 0.00 0.07 0.00 0.00 59.36 59.08 1rax h GLU 73 Cb 1.23 0.00 -0.20 0.00 0.50 0.00 0.00 28.75 30.28 1rax h GLU 73 CO 0.13 0.00 0.43 -3.47 0.07 0.00 0.00 179.01 176.17 1rax n ASP 74 N -2.43 3.76 -3.72 3.06 2.03 -1.14 -4.87 116.55 113.24 1rax n ASP 74 Ca -0.02 -3.17 -0.13 0.00 0.52 0.00 0.00 54.79 52.00 1rax n ASP 74 Cb 0.09 -0.75 -0.10 0.00 -0.72 0.00 0.00 41.12 39.64 1rax n ASP 74 CO 0.00 0.00 0.00 -0.31 -1.92 0.00 0.00 177.20 174.97 1rax s TYR 75 N -2.53 -0.50 0.09 -0.67 1.51 -0.85 -0.70 117.35 113.70 1rax s TYR 75 Ca 0.44 1.18 0.06 0.00 -1.01 0.00 0.00 57.07 57.73 1rax s TYR 75 Cb 0.37 0.18 -0.04 0.00 -0.11 0.00 0.00 41.96 42.36 1rax s TYR 75 CO 0.09 -0.25 -0.04 -1.83 -1.11 0.00 0.00 175.55 172.41 1rax s GLU 76 N 0.48 2.38 -0.10 -0.62 1.03 0.86 -4.88 118.70 117.86 1rax s GLU 76 Ca -0.02 -0.91 -0.00 0.00 0.03 0.00 0.00 54.97 54.07 1rax s GLU 76 Cb -0.04 -2.45 -0.03 0.00 -0.80 0.00 0.00 34.13 30.81 1rax s GLU 76 CO -0.02 0.53 -0.08 -1.17 -1.33 0.00 0.00 175.26 173.19 1rax s LEU 77 N -2.24 3.07 0.04 1.83 2.96 -1.26 -1.50 118.68 121.58 1rax s LEU 77 Ca 0.24 -0.12 0.06 0.00 -0.22 0.00 0.00 54.13 54.09 1rax s LEU 77 Cb -0.11 -1.69 -0.02 0.00 0.50 0.00 0.00 46.19 44.86 1rax s LEU 77 CO 0.16 0.27 -0.18 -0.76 -1.32 0.00 0.00 176.35 174.52 1rax s LEU 78 N -0.26 2.17 -0.13 -0.68 2.01 -0.27 -0.79 118.68 120.72 1rax s LEU 78 Ca 0.03 -0.49 -0.02 0.00 0.01 0.00 0.00 54.13 53.65 1rax s LEU 78 Cb -0.13 -0.81 -0.03 0.00 0.01 0.00 0.00 46.19 45.24 1rax s LEU 78 CO 0.03 0.10 -0.05 -1.58 1.01 0.00 0.00 176.35 175.86 1rax s GLN 79 N -1.17 3.46 -0.23 1.70 0.74 0.25 -0.19 119.66 124.22 1rax s GLN 79 Ca 0.05 -0.54 -0.09 0.00 0.05 0.00 0.00 55.36 54.83 1rax s GLN 79 Cb -0.08 -2.82 -0.05 0.00 1.10 0.00 0.00 33.01 31.16 1rax s GLN 79 CO 0.02 0.33 0.13 0.42 -0.55 0.00 0.00 175.29 175.63 1rax s ILE 80 N 0.11 5.10 0.00 -2.34 1.01 -0.47 -0.49 121.20 124.12 1rax s ILE 80 Ca -0.02 0.09 0.00 0.00 0.00 0.00 0.00 60.65 60.72 1rax s ILE 80 Cb -0.14 -3.36 0.00 0.00 0.01 0.00 0.00 42.46 38.97 1rax s ILE 80 CO 0.03 0.37 0.00 0.00 0.00 0.00 0.00 174.94 175.34 1rax n LEU 81 N 4.21 0.00 -4.38 2.97 -0.00 -0.44 -4.20 117.00 115.15 1rax n LEU 81 Ca -0.15 0.00 -0.30 0.00 -0.00 0.00 0.00 56.01 55.56 1rax n LEU 81 Cb 0.52 0.00 0.27 0.00 -0.00 0.00 0.00 43.42 44.21 1rax n LEU 81 CO 0.35 0.00 0.46 -0.44 -0.00 0.00 0.00 177.39 177.75 1rax s SER 82 N 0.44 -0.35 0.04 1.45 0.01 -1.25 -4.58 113.70 109.46 1rax s SER 82 Ca 0.00 0.99 -0.08 0.00 1.31 0.00 0.00 55.95 58.17 1rax s SER 82 Cb 0.00 -1.44 -0.02 0.00 0.21 0.00 0.00 66.02 64.77 1rax s SER 82 CO 0.00 -4.94 0.59 0.47 0.41 0.00 0.00 173.24 169.76 1rax n ASP 83 N -5.36 -0.26 0.00 2.44 9.92 -1.26 -2.84 116.55 119.19 1rax n ASP 83 Ca 0.10 0.65 0.00 0.00 -0.53 0.00 0.00 54.79 55.01 1rax n ASP 83 Cb 0.59 -0.16 0.00 0.00 -0.64 0.00 0.00 41.12 40.90 1rax n ASP 83 CO 0.00 0.00 0.00 -0.67 0.13 0.00 0.00 177.20 176.66 1rax n ASP 84 N -3.58 0.43 -4.64 -2.24 2.03 -1.26 -5.03 116.55 102.25 1rax n ASP 84 Ca 0.00 -0.72 -0.42 0.00 0.52 0.00 0.00 54.79 54.18 1rax n ASP 84 Cb 0.06 0.40 -0.03 0.00 -0.72 0.00 0.00 41.12 40.83 1rax n ASP 84 CO 0.00 0.00 0.00 -0.60 -1.92 0.00 0.00 177.20 174.68 1rax s ARG 85 N -0.40 3.85 -0.08 -0.67 3.00 -1.13 -4.93 118.95 118.59 1rax s ARG 85 Ca 0.00 2.45 0.04 0.00 -1.00 0.00 0.00 55.73 57.22 1rax s ARG 85 Cb 0.00 -4.23 0.00 0.00 0.00 0.00 0.00 34.95 30.73 1rax s ARG 85 CO 0.00 -1.29 -0.20 0.21 0.00 0.00 0.00 175.30 174.02 1rax s LYS 86 N 5.01 2.49 0.30 5.12 2.20 -1.26 -1.33 119.74 132.27 1rax s LYS 86 Ca 0.92 -0.73 0.08 0.00 -0.36 0.00 0.00 55.97 55.87 1rax s LYS 86 Cb -0.40 -1.97 -0.03 0.00 -1.51 0.00 0.00 37.83 33.92 1rax s LYS 86 CO 0.40 0.18 0.22 -0.51 -0.36 0.00 0.00 175.35 175.28 1rax s LEU 87 N 0.31 3.62 -0.04 5.43 1.02 0.35 -4.91 118.68 124.46 1rax s LEU 87 Ca -0.14 -0.44 0.01 0.00 0.02 0.00 0.00 54.13 53.57 1rax s LEU 87 Cb -0.16 -2.18 -0.03 0.00 0.02 0.00 0.00 46.19 43.83 1rax s LEU 87 CO 0.06 -0.21 -0.02 -0.75 0.02 0.00 0.00 176.35 175.45 1rax s LYS 88 N -3.90 2.81 -0.09 1.70 2.20 -1.26 -0.59 119.74 120.61 1rax s LYS 88 Ca 0.37 -0.55 -0.04 0.00 -0.36 0.00 0.00 55.97 55.39 1rax s LYS 88 Cb -0.06 -2.67 -0.04 0.00 -1.51 0.00 0.00 37.83 33.55 1rax s LYS 88 CO 0.25 0.65 0.07 0.42 -0.36 0.00 0.00 175.35 176.38 1rax s ILE 89 N -0.96 4.84 1.17 5.43 1.01 0.03 -4.88 121.20 127.84 1rax s ILE 89 Ca 0.16 -0.08 -0.17 0.00 0.00 0.00 0.00 60.65 60.56 1rax s ILE 89 Cb -0.11 -3.09 0.27 0.00 0.01 0.00 0.00 42.46 39.54 1rax s ILE 89 CO 0.06 0.59 1.06 -2.16 0.00 0.00 0.00 174.94 174.49 1rax s PRO 90 N -1.03 -0.96 0.11 2.79 0.04 -1.26 -4.63 135.00 130.05 1rax s PRO 90 Ca 0.15 0.27 0.24 0.00 0.04 0.00 0.00 61.00 61.70 1rax s PRO 90 Cb -0.12 -1.60 0.37 0.00 0.04 0.00 0.00 34.50 33.20 1rax s PRO 90 CO 0.04 -3.61 1.34 -1.91 0.04 0.00 0.00 177.00 172.90 1rax n GLU 91 N -4.75 0.27 -0.62 4.56 2.13 -1.26 -4.29 120.64 116.68 1rax n GLU 91 Ca 0.09 0.08 -0.00 0.00 0.66 0.00 0.00 57.16 57.99 1rax n GLU 91 Cb 0.58 -1.67 -0.00 0.00 0.27 0.00 0.00 31.44 30.62 1rax n GLU 91 CO 0.00 0.00 0.00 -1.71 -0.41 0.00 0.00 177.13 175.01 1rax n ASN 92 N -2.06 0.01 -4.71 4.31 4.05 -1.26 -2.75 115.26 112.85 1rax n ASN 92 Ca 0.03 -1.62 -0.38 0.00 0.45 0.00 0.00 54.58 53.06 1rax n ASN 92 Cb 0.43 -0.10 -0.06 0.00 1.23 0.00 0.00 39.78 41.29 1rax n ASN 92 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 1rax s ALA 93 N 0.00 3.47 -0.62 5.20 0.00 -1.26 -4.90 121.76 123.65 1rax s ALA 93 Ca 0.03 -0.18 -0.40 0.00 0.00 0.00 0.00 51.96 51.41 1rax s ALA 93 Cb 0.03 -2.73 -0.19 0.00 0.00 0.00 0.00 23.12 20.24 1rax s ALA 93 CO -0.01 -0.10 2.30 0.09 0.00 0.00 0.00 175.76 178.03 1rax n ASN 94 N 3.91 0.77 -0.32 0.00 5.03 -1.26 -4.43 115.26 118.96 1rax n ASN 94 Ca -0.06 0.50 0.18 0.00 0.87 0.00 0.00 54.58 56.07 1rax n ASN 94 Cb 0.51 -0.95 0.43 0.00 -1.02 0.00 0.00 39.78 38.75 1rax n ASN 94 CO 0.00 0.00 0.00 0.58 -1.83 0.00 0.00 177.26 176.01 1rax h VAL 95 N 7.29 0.63 -1.00 2.41 2.07 -1.73 0.42 116.25 126.33 1rax h VAL 95 Ca -0.10 -0.19 0.20 0.00 0.82 0.00 0.00 66.70 67.43 1rax h VAL 95 Cb 1.38 0.03 -0.11 0.00 -1.52 0.00 0.00 31.29 31.07 1rax h VAL 95 CO 1.16 0.10 0.61 0.15 0.02 0.00 0.00 177.57 179.62 1rax h PHE 96 N 0.56 1.03 -0.14 1.57 3.04 -1.86 -2.45 116.94 118.69 1rax h PHE 96 Ca 0.56 0.03 0.00 0.00 3.98 0.00 0.00 57.97 62.55 1rax h PHE 96 Cb 1.17 -0.31 0.00 0.00 2.56 0.00 0.00 35.95 39.37 1rax h PHE 96 CO -0.00 0.20 0.00 0.66 -2.02 0.00 0.00 178.31 177.15 1rax n TYR 97 N -4.77 0.17 0.13 0.41 4.01 0.12 -4.54 117.16 112.69 1rax n TYR 97 Ca 0.24 -0.13 0.12 0.00 -0.16 0.00 0.00 57.90 57.97 1rax n TYR 97 Cb 0.62 -0.00 0.26 0.00 -0.31 0.00 0.00 39.34 39.91 1rax n TYR 97 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1rax n ALA 98 N 0.91 2.41 -2.68 -0.72 0.00 0.25 -4.89 120.51 115.80 1rax n ALA 98 Ca 0.11 -1.07 -0.27 0.00 0.00 0.00 0.00 53.44 52.21 1rax n ALA 98 Cb 0.42 -0.92 -0.16 0.00 0.00 0.00 0.00 19.45 18.80 1rax n ALA 98 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1rax s MET 99 N -1.33 1.79 -0.97 0.00 0.00 -1.25 -4.82 119.30 112.73 1rax s MET 99 Ca 0.42 -0.69 -0.28 0.00 0.00 0.00 0.00 55.69 55.15 1rax s MET 99 Cb 0.23 -1.62 -0.23 0.00 0.00 0.00 0.00 34.83 33.21 1rax s MET 99 CO 0.32 0.34 2.61 0.09 0.00 0.00 0.00 175.02 178.37 1rax n ASN 100 N 2.88 0.18 0.23 -1.18 3.02 -1.26 -4.76 115.26 114.36 1rax n ASN 100 Ca -0.17 0.03 0.06 0.00 -0.03 0.00 0.00 54.58 54.48 1rax n ASN 100 Cb 0.53 -0.91 0.54 0.00 -0.61 0.00 0.00 39.78 39.33 1rax n ASN 100 CO 0.00 0.00 0.00 -1.28 -2.62 0.00 0.00 177.26 173.36 1rax h SER 101 N 12.29 0.00 0.00 6.41 0.87 -1.93 -1.74 113.55 129.45 1rax h SER 101 Ca -0.05 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.51 1rax h SER 101 Cb 1.28 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.24 1rax h SER 101 CO 1.41 0.16 0.00 1.07 -0.53 0.00 0.00 176.83 178.94 1rax n THR 102 N -4.28 0.00 -4.38 2.23 5.66 -1.26 -4.82 114.28 107.44 1rax n THR 102 Ca -0.02 0.00 -0.20 0.00 -3.05 0.00 0.00 64.05 60.77 1rax n THR 102 Cb 0.23 -0.21 -0.09 0.00 -1.55 0.00 0.00 70.33 68.71 1rax n THR 102 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1rax s ALA 103 N -1.64 2.19 0.65 1.79 0.00 -0.66 -5.03 121.76 119.07 1rax s ALA 103 Ca 0.00 -1.68 -0.15 0.00 0.00 0.00 0.00 51.96 50.13 1rax s ALA 103 Cb 0.00 1.07 -0.01 0.00 0.00 0.00 0.00 23.12 24.18 1rax s ALA 103 CO 0.00 -0.47 1.09 -0.80 0.00 0.00 0.00 175.76 175.57 1rax s ASN 104 N -3.43 5.32 -0.39 0.00 0.01 -1.26 -4.92 114.94 110.26 1rax s ASN 104 Ca 0.33 1.89 -0.04 0.00 -0.71 0.00 0.00 52.86 54.34 1rax s ASN 104 Cb 0.04 -2.54 0.04 0.00 0.41 0.00 0.00 41.25 39.20 1rax s ASN 104 CO 0.18 -1.48 2.81 -1.22 -1.51 0.00 0.00 177.10 175.87 1rax n TYR 105 N -2.42 1.41 -3.84 2.20 4.01 -1.26 -4.68 117.16 112.58 1rax n TYR 105 Ca 0.09 -1.89 -0.34 0.00 -0.16 0.00 0.00 57.90 55.60 1rax n TYR 105 Cb 0.52 -1.37 -0.05 0.00 -0.31 0.00 0.00 39.34 38.13 1rax n TYR 105 CO 0.00 0.00 0.00 -0.51 -0.46 0.00 0.00 176.86 175.89 1rax s ASP 106 N 0.52 6.43 0.01 7.72 1.01 -1.26 -1.28 116.67 129.81 1rax s ASP 106 Ca 0.58 0.46 -0.03 0.00 0.71 0.00 0.00 52.55 54.26 1rax s ASP 106 Cb 0.37 -2.05 -0.01 0.00 1.01 0.00 0.00 42.92 42.24 1rax s ASP 106 CO -0.18 0.28 0.05 -0.36 0.21 0.00 0.00 175.17 175.17 1rax s PHE 107 N -1.26 0.14 -0.07 4.23 0.08 0.20 -1.37 117.98 119.93 1rax s PHE 107 Ca 0.25 -0.30 0.05 0.00 0.12 0.00 0.00 56.93 57.06 1rax s PHE 107 Cb -0.13 -0.11 -0.01 0.00 -0.57 0.00 0.00 43.02 42.20 1rax s PHE 107 CO 0.15 -0.21 -0.23 0.08 -0.10 0.00 0.00 175.22 174.91 1rax s VAL 108 N -1.26 2.25 -0.40 -0.44 1.01 0.73 -1.47 120.40 120.82 1rax s VAL 108 Ca -0.14 -0.99 -0.07 0.00 0.00 0.00 0.00 61.98 60.78 1rax s VAL 108 Cb -0.08 -1.84 0.08 0.00 0.00 0.00 0.00 36.38 34.54 1rax s VAL 108 CO 0.00 0.57 0.21 -0.22 0.00 0.00 0.00 175.10 175.66 1rax s LEU 109 N -0.14 4.97 0.02 3.92 2.96 0.77 -1.11 118.68 130.07 1rax s LEU 109 Ca -0.04 -1.55 0.05 0.00 -0.22 0.00 0.00 54.13 52.37 1rax s LEU 109 Cb -0.14 -1.92 -0.03 0.00 0.50 0.00 0.00 46.19 44.60 1rax s LEU 109 CO 0.04 -0.49 -0.09 -0.54 -1.32 0.00 0.00 176.35 173.94 1rax s LYS 110 N 1.35 2.40 0.79 1.98 1.02 -0.56 -1.05 119.74 125.67 1rax s LYS 110 Ca 0.03 -0.81 -0.11 0.00 0.02 0.00 0.00 55.97 55.09 1rax s LYS 110 Cb -0.22 -2.41 0.06 0.00 -0.52 0.00 0.00 37.83 34.74 1rax s LYS 110 CO 0.01 0.58 1.09 0.21 -0.92 0.00 0.00 175.35 176.31 1rax s LYS 111 N -1.53 2.17 -0.17 1.68 2.36 -1.26 -0.10 119.74 122.89 1rax s LYS 111 Ca 0.17 0.84 -0.13 0.00 -2.55 0.00 0.00 55.97 54.30 1rax s LYS 111 Cb -0.11 -1.91 -0.15 0.00 -1.05 0.00 0.00 37.83 34.61 1rax s LYS 111 CO 0.08 -1.61 1.41 -2.13 1.55 0.00 0.00 175.35 174.65 1rax n ARG 112 N -3.46 0.37 -4.22 4.03 0.00 0.12 -4.55 116.66 108.95 1rax n ARG 112 Ca 0.07 -0.90 -0.17 0.00 -0.00 0.00 0.00 57.85 56.85 1rax n ARG 112 Cb 0.55 -2.31 -0.11 0.00 0.00 0.00 0.00 32.46 30.59 1rax n ARG 112 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.63 178.58 1rax s THR 113 N 5.51 1.21 -0.08 5.15 -4.23 -1.26 -4.99 115.64 116.95 1rax s THR 113 Ca 0.33 -1.65 -0.06 0.00 -1.18 0.00 0.00 61.69 59.13 1rax s THR 113 Cb 0.08 -1.44 0.02 0.00 1.34 0.00 0.00 72.50 72.50 1rax s THR 113 CO 0.13 -0.43 0.13 0.33 -0.54 0.00 0.00 174.62 174.23 1rax n PHE 114 N 0.62 -3.80 -0.84 3.99 -0.00 -1.26 -5.02 117.46 111.14 1rax n PHE 114 Ca -0.16 2.23 0.00 0.00 -0.00 0.00 0.00 57.45 59.52 1rax n PHE 114 Cb 0.57 -3.50 0.00 0.00 -0.00 0.00 0.00 39.48 36.55 1rax n PHE 114 CO 0.00 0.00 0.00 2.41 -0.00 0.00 0.00 176.76 179.17